Compile Data Set for Download or QSAR

Found 354 hits with Last Name = 'prasad' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260415 (4-(2-Chloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C16H21ClN2O3S/c1-18-8-2-3-13(11-18)16-12-19(9-10-22-16)23(20,21)15-6-4-14(17)5-7-15/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260414 (4-(4-tert-Butyl-benzenesulfonyl)-2-(1-methyl-1,2,5...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:4| Show InChI InChI=1S/C20H30N2O3S/c1-20(2,3)17-7-9-18(10-8-17)26(23,24)22-12-13-25-19(15-22)16-6-5-11-21(4)14-16/h6-10,19H,5,11-15H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260413 (4-(4-Methyl-benzenesulfonyl)-2-(1-methyl-1,2,5,6-t...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C17H24N2O3S/c1-14-5-7-16(8-6-14)23(20,21)19-10-11-22-17(13-19)15-4-3-9-18(2)12-15/h4-8,17H,3,9-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260418 (4-Benzenesulfonyl-2-(1-methyl-1,2,5,6-tetrahydropy...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C16H22N2O3S/c1-17-9-5-6-14(12-17)16-13-18(10-11-21-16)22(19,20)15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260417 (4-(2,5-Dichloro-benzenesulfonyl)-2-(1-methyl-1,2,5...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cc(Cl)ccc1Cl |c:4| Show InChI InChI=1S/C16H20Cl2N2O3S/c1-19-6-2-3-12(10-19)15-11-20(7-8-23-15)24(21,22)16-9-13(17)4-5-14(16)18/h3-5,9,15H,2,6-8,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260420 (4-(3-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H21N3O5S/c1-17-7-3-4-13(11-17)16-12-18(8-9-24-16)25(22,23)15-6-2-5-14(10-15)19(20)21/h2,4-6,10,16H,3,7-9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260421 (4-(4-Nitro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-te...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H21N3O5S/c1-17-8-2-3-13(11-17)16-12-18(9-10-24-16)25(22,23)15-6-4-14(5-7-15)19(20)21/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM46858 (1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...) Show SMILES COC(=O)C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50260419 (4-(2-Nitrobenzenesulfonyl)-2-(1-methyl-1,2,5,6-tet...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H21N3O5S/c1-17-8-4-5-13(11-17)15-12-18(9-10-24-15)25(22,23)16-7-3-2-6-14(16)19(20)21/h2-3,5-7,15H,4,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]Quinuclidinyl benzillate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane				Bioorg Med Chem 16: 5157-63 (2008) Article DOI: 10.1016/j.bmc.2008.03.019 BindingDB Entry DOI: 10.7270/Q26973CD
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478381 (CHEMBL256111) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479471 (CHEMBL491019 | MK-1107) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase Y181C mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479470 (CHEMBL489586 | MK-4965) Show SMILES Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1 Show InChI InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 RT polymerase by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478381 (CHEMBL256111) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478381 (CHEMBL256111) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-5-12(10-25)6-15(7-13)32-20-8-14(1-3-17(20)23)31-11-21(28)27-19-4-2-16(9-18(19)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478380 (CHEMBL257190) Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 Show InChI InChI=1S/C24H18Cl2N2O5S/c1-34(30,31)20-3-5-22-16(10-20)6-7-28(22)24(29)14-32-18-2-4-21(26)23(12-18)33-19-9-15(13-27)8-17(25)11-19/h2-5,8-12H,6-7,14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479471 (CHEMBL491019 | MK-1107) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 RT polymerase by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479470 (CHEMBL489586 | MK-4965) Show SMILES Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1 Show InChI InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase Y181C mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479471 (CHEMBL491019 | MK-1107) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase K103N mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479470 (CHEMBL489586 | MK-4965) Show SMILES Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1 Show InChI InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase K103N mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478378 (CHEMBL403409) Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4o3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O3/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479472 (CHEMBL523972) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4cnccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-5-12(9-23)6-15(7-13)28-20-8-14(1-2-17(20)22)27-11-19-16-3-4-24-10-18(16)25-26-19/h1-8,10H,11H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 RT polymerase by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478380 (CHEMBL257190) Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 Show InChI InChI=1S/C24H18Cl2N2O5S/c1-34(30,31)20-3-5-22-16(10-20)6-7-28(22)24(29)14-32-18-2-4-21(26)23(12-18)33-19-9-15(13-27)8-17(25)11-19/h2-5,8-12H,6-7,14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478385 (CHEMBL257172) Show SMILES CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C22H15Cl3N2O5S/c1-33(29,30)17-3-5-20(19(25)10-17)27-22(28)12-31-15-2-4-18(24)21(9-15)32-16-7-13(11-26)6-14(23)8-16/h2-10H,12H2,1H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478382 (CHEMBL254560) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cccc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N3O5S/c22-14-7-16(9-17(8-14)31-15-3-1-2-13(6-15)11-24)30-12-21(27)26-20-5-4-18(10-19(20)23)32(25,28)29/h1-10H,12H2,(H,26,27)(H2,25,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478385 (CHEMBL257172) Show SMILES CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C22H15Cl3N2O5S/c1-33(29,30)17-3-5-20(19(25)10-17)27-22(28)12-31-15-2-4-18(24)21(9-15)32-16-7-13(11-26)6-14(23)8-16/h2-10H,12H2,1H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50481850 (CHEMBL1079267) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1 Show InChI InChI=1S/C18H16Cl3N3O4S2/c19-11-6-10-2-1-5-24(17(10)14(21)7-11)18(26)29-9-16(25)23-15-4-3-12(8-13(15)20)30(22,27)28/h3-4,6-8H,1-2,5,9H2,(H,23,25)(H2,22,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase expressed in human MT4 cells after 72 hrs by spread assay				Bioorg Med Chem Lett 19: 5119-23 (2009) Article DOI: 10.1016/j.bmcl.2009.07.031 BindingDB Entry DOI: 10.7270/Q2ZC85QM
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50498068 (CHEMBL3394234) Show SMILES CC(C)c1ccc(COc2cccc-3c2CCc2c-3[nH]c(=O)c(C#N)c2-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C31H26N2O4/c1-18(2)20-8-6-19(7-9-20)17-37-27-5-3-4-24-23(27)14-15-25-28(26(16-32)30(34)33-29(24)25)21-10-12-22(13-11-21)31(35)36/h3-13,18H,14-15,17H2,1-2H3,(H,33,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay				J Med Chem 58: 753-66 (2015) Article DOI: 10.1021/jm5012947 BindingDB Entry DOI: 10.7270/Q2JS9TD7
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 RT polymerase by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478383 (CHEMBL402823) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase K103N mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478383 (CHEMBL402823) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478382 (CHEMBL254560) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cccc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N3O5S/c22-14-7-16(9-17(8-14)31-15-3-1-2-13(6-15)11-24)30-12-21(27)26-20-5-4-18(10-19(20)23)32(25,28)29/h1-10H,12H2,(H,26,27)(H2,25,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479473 (CHEMBL491018) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccncc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-5-12(9-23)6-15(7-13)28-20-8-14(1-2-17(20)22)27-11-19-16-10-24-4-3-18(16)25-26-19/h1-8,10H,11H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 RT polymerase by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478385 (CHEMBL257172) Show SMILES CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C22H15Cl3N2O5S/c1-33(29,30)17-3-5-20(19(25)10-17)27-22(28)12-31-15-2-4-18(24)21(9-15)32-16-7-13(11-26)6-14(23)8-16/h2-10H,12H2,1H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479472 (CHEMBL523972) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4cnccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-5-12(9-23)6-15(7-13)28-20-8-14(1-2-17(20)22)27-11-19-16-3-4-24-10-18(16)25-26-19/h1-8,10H,11H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase K103N mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478383 (CHEMBL402823) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 RT polymerase by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50478378 (CHEMBL403409) Show SMILES Clc1cc(Oc2cc(OCc3nc4cccc(Cl)c4o3)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H11Cl3N2O3/c22-13-6-12(10-25)7-15(8-13)28-19-9-14(4-5-16(19)23)27-11-20-26-18-3-1-2-17(24)21(18)29-20/h1-9H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478383 (CHEMBL402823) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478380 (CHEMBL257190) Show SMILES CS(=O)(=O)c1ccc2N(CCc2c1)C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(c2)C#N)c1 Show InChI InChI=1S/C24H18Cl2N2O5S/c1-34(30,31)20-3-5-22-16(10-20)6-7-28(22)24(29)14-32-18-2-4-21(26)23(12-18)33-19-9-15(13-27)8-17(25)11-19/h2-5,8-12H,6-7,14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50481845 (CHEMBL1078846) Show SMILES Clc1cc(Cl)c2N(CCCc2c1)C(=O)SCC(=O)Nc1ccc(cc1Cl)C(=O)NCc1ccccc1 Show InChI InChI=1S/C26H22Cl3N3O3S/c27-19-11-17-7-4-10-32(24(17)21(29)13-19)26(35)36-15-23(33)31-22-9-8-18(12-20(22)28)25(34)30-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-13H,4,7,10,14-15H2,(H,30,34)(H,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase expressed in human MT4 cells after 72 hrs by spread assay				Bioorg Med Chem Lett 19: 5119-23 (2009) Article DOI: 10.1016/j.bmcl.2009.07.031 BindingDB Entry DOI: 10.7270/Q2ZC85QM
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50481840 (CHEMBL1079266) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cccc(Cl)c23)c(Cl)c1 Show InChI InChI=1S/C18H17Cl2N3O4S2/c19-13-5-1-3-11-4-2-8-23(17(11)13)18(25)28-10-16(24)22-15-7-6-12(9-14(15)20)29(21,26)27/h1,3,5-7,9H,2,4,8,10H2,(H,22,24)(H2,21,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase expressed in human MT4 cells after 72 hrs by spread assay				Bioorg Med Chem Lett 19: 5119-23 (2009) Article DOI: 10.1016/j.bmcl.2009.07.031 BindingDB Entry DOI: 10.7270/Q2ZC85QM
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50498093 (CHEMBL3394236) Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N Show InChI InChI=1S/C26H17N3O5S/c27-14-20-23(21-15-34-22-9-5-4-8-19(22)24(21)28-26(20)31)16-10-12-17(13-11-16)25(30)29-35(32,33)18-6-2-1-3-7-18/h1-13H,15H2,(H,28,31)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay				J Med Chem 58: 753-66 (2015) Article DOI: 10.1021/jm5012947 BindingDB Entry DOI: 10.7270/Q2JS9TD7
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50498069 (CHEMBL3394233) Show SMILES OC(=O)c1ccc(cc1)-c1c2CCc3c(cccc3-c2[nH]c(=O)c1C#N)-c1cn[nH]c1 Show InChI InChI=1S/C24H16N4O3/c25-10-20-21(13-4-6-14(7-5-13)24(30)31)19-9-8-17-16(15-11-26-27-12-15)2-1-3-18(17)22(19)28-23(20)29/h1-7,11-12H,8-9H2,(H,26,27)(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay				J Med Chem 58: 753-66 (2015) Article DOI: 10.1021/jm5012947 BindingDB Entry DOI: 10.7270/Q2JS9TD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50481843 (CHEMBL1078945) Show SMILES NCCCNC(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1 Show InChI InChI=1S/C22H23Cl3N4O3S/c23-15-9-13-3-1-8-29(20(13)17(25)11-15)22(32)33-12-19(30)28-18-5-4-14(10-16(18)24)21(31)27-7-2-6-26/h4-5,9-11H,1-3,6-8,12,26H2,(H,27,31)(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase expressed in human MT4 cells after 72 hrs by spread assay				Bioorg Med Chem Lett 19: 5119-23 (2009) Article DOI: 10.1016/j.bmcl.2009.07.031 BindingDB Entry DOI: 10.7270/Q2ZC85QM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193591 (CHEMBL3949218) Show SMILES COc1ccc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)cc1[N+]([O-])=O Show InChI InChI=1S/C18H15N3O4S/c1-25-15-8-7-13(9-14(15)21(23)24)10-16-17(22)20-18(26-16)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,22)/b16-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478387 (CHEMBL255689) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478026 (CHEMBL203420 | GW678248 | GW8248) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478026 (CHEMBL203420 | GW678248 | GW8248) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478383 (CHEMBL402823) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 RT polymerase Y181C mutant by SPA				J Med Chem 51: 6503-11 (2008) Article DOI: 10.1021/jm800856c BindingDB Entry DOI: 10.7270/Q2H41V7H
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478383 (CHEMBL402823) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ccccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478387 (CHEMBL255689) Show SMILES NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(c3)C#N)c2)c(Cl)c1 Show InChI InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay				Bioorg Med Chem Lett 18: 2959-66 (2008) Article DOI: 10.1016/j.bmcl.2008.03.064 BindingDB Entry DOI: 10.7270/Q2HT2S4M
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 354 total )  |  Next  |  Last  >>

Jump to: